#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2211090.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2211090_Fobs
loop_
_publ_author_name
'Fuma, Yasuhiro'
'Ebihara, Masahiro'
_publ_section_title
;
 Tetra-\m-acetamidato-\k^4^<i>N</i>:<i>O</i>;\k^4^<i>O</i>:<i>N</i>-bis[aquaruthenium(II,III)]<i>(Ru{---</i>Ru)}
 nitrate
;
_journal_coeditor_code           KP2035
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2805
_journal_page_last               m2807
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.993
_cell_angle_beta                 99.416
_cell_angle_gamma                92.317
_cell_length_a                   8.1616
_cell_length_b                   8.5982
_cell_length_c                   11.9115
_exptl_crystal_F_000             526.00
_reflns_d_resolution_high        0.7703
_[local]_cod_data_source_file    kp2035Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' _fuma203'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            144.16
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
3 0 0 90.00 78.74 3.13 o
4 0 0 14986.84 14387.56 51.19 o
5 0 0 47.00 53.67 2.80 o
6 0 0 1737.38 1739.83 22.02 o
7 0 0 138.51 135.15 14.50 o
8 0 0 2054.13 2103.84 128.45 o
9 0 0 604.45 584.97 25.01 o
10 0 0 709.65 725.64 30.26 o
-10 1 0 57.23 69.46 21.34 o
-9 1 0 300.39 285.24 33.31 o
-8 1 0 691.01 713.52 23.53 o
-7 1 0 437.74 444.25 26.47 o
-6 1 0 1796.64 1825.49 21.42 o
-5 1 0 626.56 598.62 24.47 o
-4 1 0 6323.28 6324.21 36.14 o
-3 1 0 32.52 33.95 2.05 o
-2 1 0 3094.68 2875.30 35.82 o
-1 1 0 0.79 6.40 1.46 o
1 1 0 0.23 12.62 2.93 o
3 1 0 0.66 29.39 3.55 o
5 1 0 157.57 139.67 5.39 o
6 1 0 4059.58 4114.50 82.36 o
7 1 0 91.84 117.48 10.73 o
8 1 0 2372.25 2303.01 29.95 o
9 1 0 128.06 129.93 14.45 o
10 1 0 1021.05 1033.63 31.42 o
-10 2 0 10.62 26.67 19.59 o
-9 2 0 752.50 770.58 29.67 o
-8 2 0 171.73 202.63 15.51 o
-7 2 0 89.82 140.76 13.67 o
-6 2 0 813.09 901.42 16.98 o
-5 2 0 657.84 656.06 15.72 o
-4 2 0 4268.92 4272.16 37.08 o
-3 2 0 472.69 446.51 11.94 o
-2 2 0 836.58 764.25 11.45 o
-1 2 0 374.50 363.92 9.43 o
1 2 0 0.80 8.24 5.47 o
2 2 0 5252.15 5011.21 80.03 o
3 2 0 3.33 8.74 2.31 o
5 2 0 26.03 22.73 3.20 o
6 2 0 8739.57 8879.44 52.21 o
7 2 0 59.60 55.36 7.99 o
8 2 0 3999.31 3794.48 69.49 o
9 2 0 128.47 158.56 17.91 o
10 2 0 594.24 541.41 27.95 o
-10 3 0 0.78 23.63 25.36 o
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-8 3 0 59.19 67.24 10.67 o
-7 3 0 742.18 736.95 18.15 o
-6 3 0 625.16 648.30 13.26 o
-5 3 0 379.95 375.67 14.01 o
-4 3 0 2581.64 2701.96 27.83 o
-3 3 0 201.50 218.79 6.59 o
-2 3 0 8608.56 8687.25 80.38 o
-1 3 0 338.44 345.12 34.09 o
0 3 0 72.58 55.68 15.83 o
1 3 0 139.29 143.84 8.24 o
2 3 0 15784.35 16143.92 111.57 o
3 3 0 1.42 13.07 7.70 o
4 3 0 5672.21 5684.96 53.61 o
5 3 0 31.78 32.95 4.37 o
6 3 0 11649.31 11964.25 64.59 o
7 3 0 3.23 28.11 14.84 o
8 3 0 6463.82 6283.22 65.38 o
9 3 0 3.10 36.58 17.85 o
-9 4 0 297.81 317.20 26.48 o
-8 4 0 102.89 105.01 13.31 o
-7 4 0 211.36 209.84 10.70 o
-6 4 0 101.36 103.49 7.69 o
-5 4 0 770.26 861.15 21.87 o
-4 4 0 419.73 432.25 19.12 o
-3 4 0 303.56 291.89 10.47 o
-2 4 0 11229.53 11625.27 91.41 o
-1 4 0 485.33 476.94 17.73 o
0 4 0 4733.58 4351.93 47.34 o
1 4 0 12.92 14.86 7.08 o
2 4 0 5187.52 5457.07 86.77 o
3 4 0 17.96 29.21 7.43 o
4 4 0 5394.94 5493.90 89.09 o
5 4 0 7.14 23.46 11.68 o
6 4 0 5111.28 5272.36 43.25 o
7 4 0 41.55 38.21 10.51 o
8 4 0 7245.66 7405.74 71.25 o
9 4 0 0.75 47.97 19.68 o
-9 5 0 532.32 521.59 26.61 o
-8 5 0 588.45 615.35 44.93 o
-7 5 0 870.51 824.59 50.73 o
-6 5 0 118.61 143.06 12.32 o
-5 5 0 43.24 48.14 8.17 o
-4 5 0 0.48 14.16 9.81 o
-3 5 0 467.02 474.76 32.52 o
-2 5 0 2009.74 2035.40 35.96 o
-1 5 0 149.01 154.97 15.37 o
0 5 0 2200.12 2260.34 37.53 o
1 5 0 340.75 274.77 16.89 o
2 5 0 13614.28 13877.46 133.64 o
3 5 0 7.38 23.88 8.76 o
4 5 0 1957.60 2050.81 28.53 o
5 5 0 0.61 24.66 11.00 o
6 5 0 5109.08 5006.55 50.30 o
7 5 0 20.40 31.67 16.91 o
8 5 0 2552.15 2542.35 45.80 o
9 5 0 12.83 17.10 11.10 o
-9 6 0 558.98 551.77 74.66 o
-8 6 0 1507.64 1450.33 87.07 o
-7 6 0 1067.97 1068.43 28.96 o
-6 6 0 695.16 742.94 37.37 o
-5 6 0 739.55 759.26 19.65 o
-4 6 0 6.22 18.67 6.32 o
-3 6 0 291.90 267.67 12.09 o
-2 6 0 616.77 657.11 24.31 o
-1 6 0 112.61 142.80 17.80 o
0 6 0 262.69 284.11 19.97 o
1 6 0 69.17 57.15 11.72 o
2 6 0 2501.80 2439.50 43.93 o
3 6 0 83.72 62.07 12.04 o
4 6 0 4781.51 4967.98 65.20 o
5 6 0 2.64 9.67 7.17 o
6 6 0 3579.18 3492.59 66.27 o
7 6 0 0.02 26.37 28.66 o
8 6 0 1549.43 1596.04 58.85 o
-8 7 0 2389.41 2251.12 110.28 o
-7 7 0 1393.20 1318.63 83.19 o
-6 7 0 787.65 776.62 53.40 o
-5 7 0 509.63 521.45 36.36 o
-4 7 0 1176.51 1209.16 23.05 o
-3 7 0 1386.52 1403.11 24.72 o
-2 7 0 0.40 58.23 19.40 o
-1 7 0 93.22 84.30 14.22 o
0 7 0 663.92 629.01 28.22 o
1 7 0 330.00 336.51 25.22 o
2 7 0 577.78 596.68 29.26 o
3 7 0 5.08 16.65 9.39 o
4 7 0 699.17 688.78 30.42 o
5 7 0 30.33 40.10 8.64 o
6 7 0 4084.16 3942.48 74.08 o
7 7 0 1.89 17.58 12.26 o
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-6 8 0 1358.80 1443.18 44.13 o
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-1 8 0 490.17 477.16 28.43 o
0 8 0 48.96 132.57 26.34 o
1 8 0 228.54 270.91 28.84 o
2 8 0 423.18 441.01 28.35 o
3 8 0 105.91 111.23 20.02 o
4 8 0 579.66 676.98 33.75 o
5 8 0 31.97 42.78 20.06 o
6 8 0 1152.22 1096.75 63.46 o
-6 9 0 765.09 681.38 34.63 o
-5 9 0 343.72 327.58 30.28 o
-4 9 0 1625.21 1820.69 52.21 o
-3 9 0 1444.30 1515.33 49.47 o
-2 9 0 609.07 541.12 29.90 o
-1 9 0 637.68 682.74 39.33 o
0 9 0 180.76 228.18 26.64 o
1 9 0 549.52 481.24 33.30 o
2 9 0 50.64 40.67 14.48 o
3 9 0 46.62 48.55 19.86 o
4 9 0 378.24 311.16 31.98 o
5 9 0 69.31 50.45 9.31 o
-5 10 0 127.82 130.68 27.48 o
-4 10 0 1003.33 929.66 45.41 o
-3 10 0 155.30 165.15 27.23 o
-2 10 0 1495.36 1575.38 56.57 o
-1 10 0 918.37 911.92 44.30 o
0 10 0 895.03 934.58 42.32 o
1 10 0 482.59 503.66 39.24 o
2 10 0 50.82 47.95 16.53 o
3 10 0 325.96 344.52 30.89 o
4 10 0 43.42 67.57 23.00 o
-2 11 0 587.83 478.06 38.73 o
-1 11 0 244.84 230.00 34.19 o
0 11 0 1785.23 1877.37 61.63 o
1 11 0 390.28 388.58 34.35 o
-1 -11 1 31.65 31.09 16.77 o
0 -11 1 858.84 816.93 46.50 o
1 -11 1 0.18 27.63 30.83 o
2 -11 1 173.10 145.96 27.19 o
-4 -10 1 50.37 46.78 20.62 o
-3 -10 1 333.09 300.74 33.35 o
-2 -10 1 266.05 230.29 29.69 o
-1 -10 1 322.51 270.54 30.29 o
0 -10 1 622.83 597.36 39.18 o
1 -10 1 53.47 32.87 16.54 o
2 -10 1 936.34 920.48 43.20 o
3 -10 1 127.94 131.05 24.97 o
4 -10 1 520.24 503.19 35.93 o
-5 -9 1 2651.74 2593.94 61.81 o
-4 -9 1 71.32 107.27 28.38 o
-3 -9 1 745.53 719.63 37.56 o
-2 -9 1 24.59 41.17 18.53 o
-1 -9 1 393.00 406.45 29.29 o
0 -9 1 661.38 730.08 40.21 o
1 -9 1 251.66 299.04 29.60 o
2 -9 1 301.67 281.62 26.84 o
3 -9 1 0.58 34.20 25.02 o
4 -9 1 1846.43 1919.90 53.75 o
5 -9 1 206.26 200.64 25.33 o
6 -9 1 333.27 387.07 32.63 o
-7 -8 1 2996.79 2805.52 63.98 o
-6 -8 1 13.26 14.80 8.08 o
-5 -8 1 2692.60 2694.01 90.53 o
-4 -8 1 4.34 62.36 25.55 o
-3 -8 1 2197.09 2187.34 48.99 o
-2 -8 1 100.09 102.40 20.42 o
-1 -8 1 2540.56 2616.94 58.14 o
0 -8 1 110.56 92.22 19.36 o
1 -8 1 292.15 341.12 24.09 o
2 -8 1 750.30 698.62 32.04 o
3 -8 1 443.68 440.24 29.28 o
4 -8 1 571.86 567.60 53.69 o
5 -8 1 99.29 107.37 12.65 o
6 -8 1 1040.61 973.81 40.28 o
7 -8 1 81.88 114.93 30.50 o
-7 -7 1 4695.36 4581.55 59.21 o
-6 -7 1 1.52 10.71 12.57 o
-5 -7 1 7345.27 7609.90 271.47 o
-4 -7 1 75.35 52.97 13.36 o
-3 -7 1 2280.52 2199.13 49.32 o
-2 -7 1 6.38 11.66 18.49 o
-1 -7 1 4697.14 4669.44 69.78 o
0 -7 1 145.65 161.19 19.75 o
1 -7 1 1015.44 1006.43 32.43 o
2 -7 1 81.88 99.01 18.21 o
3 -7 1 2096.27 2220.92 45.54 o
4 -7 1 1358.59 1402.73 54.78 o
5 -7 1 32.17 42.16 9.96 o
6 -7 1 562.45 538.92 17.74 o
7 -7 1 0.04 24.76 17.18 o
8 -7 1 1123.64 1096.82 81.64 o
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-3 -6 1 9537.45 9943.08 109.08 o
-2 -6 1 305.16 283.47 21.83 o
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0 -6 1 31.26 43.98 12.59 o
1 -6 1 1210.72 1208.92 29.60 o
2 -6 1 337.02 323.15 21.11 o
3 -6 1 2920.29 2818.23 46.42 o
4 -6 1 7.11 22.72 11.56 o
5 -6 1 465.55 529.75 44.54 o
6 -6 1 1426.26 1513.60 23.19 o
7 -6 1 123.16 108.26 20.70 o
8 -6 1 801.23 809.52 28.91 o
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-8 -5 1 25.98 13.69 9.12 o
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-5 -5 1 5236.60 5540.87 91.26 o
-4 -5 1 0.10 28.99 10.52 o
-3 -5 1 8150.39 7705.47 82.68 o
-2 -5 1 0.03 73.16 18.51 o
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0 -5 1 414.28 335.18 18.20 o
1 -5 1 4428.57 4394.23 50.06 o
2 -5 1 267.62 263.25 17.35 o
3 -5 1 2806.42 2948.50 38.97 o
4 -5 1 386.92 384.59 21.36 o
5 -5 1 1082.69 1094.13 17.22 o
6 -5 1 77.77 96.15 9.65 o
7 -5 1 195.41 199.64 23.42 o
8 -5 1 700.18 704.86 54.14 o
9 -5 1 44.64 52.42 12.84 o
-9 -4 1 2223.35 2135.98 39.84 o
-8 -4 1 53.13 42.33 10.42 o
-7 -4 1 4791.42 4649.24 71.64 o
-6 -4 1 58.43 68.86 8.61 o
-5 -4 1 3848.85 3698.85 42.96 o
-4 -4 1 8.63 22.88 6.30 o
-3 -4 1 17106.18 17175.12 192.56 o
-2 -4 1 64.65 80.54 11.88 o
-1 -4 1 9319.64 8651.35 83.81 o
0 -4 1 0.10 27.39 12.07 o
2 -4 1 522.33 505.20 19.05 o
3 -4 1 2547.47 2523.25 24.03 o
4 -4 1 55.24 55.87 6.39 o
5 -4 1 3491.45 3590.50 30.44 o
6 -4 1 937.81 958.02 16.90 o
7 -4 1 472.85 572.31 86.75 o
8 -4 1 33.28 28.89 13.03 o
9 -4 1 110.66 110.97 14.58 o
-10 -3 1 51.57 48.36 14.64 o
-9 -3 1 1458.78 1501.56 34.57 o
-8 -3 1 151.28 170.31 16.48 o
-7 -3 1 6296.18 6384.11 72.03 o
-6 -3 1 19.83 20.70 4.74 o
-5 -3 1 6748.20 6728.97 87.89 o
-4 -3 1 30.03 23.71 3.58 o
-3 -3 1 13254.71 13218.76 72.51 o
-2 -3 1 33.73 41.22 5.62 o
-1 -3 1 14100.52 14413.07 104.45 o
0 -3 1 322.00 301.81 13.78 o
2 -3 1 244.25 273.47 9.20 o
3 -3 1 10970.41 11091.66 78.25 o
4 -3 1 407.71 407.55 14.76 o
5 -3 1 7276.26 7600.66 105.31 o
6 -3 1 98.47 93.85 12.61 o
7 -3 1 1172.09 1215.66 21.77 o
8 -3 1 417.24 425.37 29.01 o
9 -3 1 596.52 596.73 23.55 o
10 -3 1 257.53 212.77 27.83 o
-10 -2 1 62.83 80.34 23.82 o
-9 -2 1 75.21 80.17 12.04 o
-8 -2 1 73.23 88.40 10.21 o
-7 -2 1 1897.63 1957.32 19.40 o
-6 -2 1 203.33 206.50 6.47 o
-5 -2 1 8262.53 8636.87 59.21 o
-4 -2 1 32.49 36.14 3.83 o
-2 -2 1 27.90 20.85 3.50 o
-1 -2 1 1359.15 1190.14 47.78 o
0 -2 1 331.67 318.58 8.97 o
2 -2 1 291.45 266.61 9.38 o
3 -2 1 10180.39 9991.50 64.39 o
4 -2 1 343.10 339.96 6.06 o
5 -2 1 20733.41 20506.50 97.39 o
6 -2 1 667.07 656.73 25.23 o
7 -2 1 2862.79 2907.88 37.77 o
8 -2 1 64.16 80.98 12.16 o
9 -2 1 1305.18 1302.03 27.05 o
10 -2 1 452.46 471.73 28.70 o
-10 -1 1 121.10 126.03 18.58 o
-9 -1 1 61.19 86.66 16.21 o
-8 -1 1 230.10 243.34 15.98 o
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-6 -1 1 8.97 10.48 6.86 o
-5 -1 1 1150.26 1192.04 25.77 o
-4 -1 1 308.57 296.35 6.01 o
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2 -1 1 123.45 110.56 2.58 o
3 -1 1 9249.36 8707.01 73.48 o
4 -1 1 45.27 44.77 2.69 o
5 -1 1 12135.49 11980.94 50.36 o
6 -1 1 173.14 167.30 11.00 o
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9 -1 1 3197.63 3232.92 94.14 o
10 -1 1 154.04 155.96 22.10 o
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-9 0 1 7.34 28.85 11.02 o
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-7 0 1 384.93 373.11 21.98 o
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-2 0 1 9.89 15.95 2.91 o
2 0 1 15.12 17.16 2.03 o
3 0 1 8943.09 8377.18 87.14 o
4 0 1 8.35 19.48 8.26 o
5 0 1 7089.13 6796.74 64.65 o
6 0 1 38.73 57.33 7.67 o
7 0 1 3827.60 3798.39 38.04 o
8 0 1 83.72 110.19 13.98 o
9 0 1 5402.37 5389.05 83.64 o
10 0 1 253.13 271.76 22.96 o
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-9 1 1 153.98 177.02 39.88 o
-8 1 1 295.68 298.99 17.17 o
-7 1 1 93.89 83.17 5.02 o
-6 1 1 63.91 63.73 6.14 o
-5 1 1 891.67 931.16 22.57 o
-4 1 1 692.74 663.09 8.20 o
-2 1 1 0.23 21.46 4.37 o
0 1 1 9.90 9.53 0.87 o
1 1 1 7777.36 8004.08 51.70 o
2 1 1 321.41 287.54 5.02 o
4 1 1 91.16 92.50 3.87 o
5 1 1 5263.27 5103.66 42.32 o
6 1 1 1.06 33.18 8.94 o
7 1 1 4837.79 4946.64 51.49 o
8 1 1 59.49 101.98 17.69 o
9 1 1 3063.85 3090.29 71.49 o
10 1 1 39.02 42.65 13.48 o
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-3 2 1 153.82 138.59 6.27 o
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0 2 1 43.42 56.85 4.95 o
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2 2 1 13.46 13.16 2.12 o
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5 2 1 12820.35 12842.41 89.08 o
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10 2 1 28.71 46.41 15.98 o
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-6 3 1 1044.87 1046.96 18.25 o
-5 3 1 0.27 12.58 4.42 o
-4 3 1 835.13 801.32 10.56 o
-3 3 1 13.90 57.68 13.51 o
-2 3 1 5.50 12.08 2.77 o
-1 3 1 2968.38 2866.09 119.35 o
0 3 1 0.19 12.61 6.70 o
1 3 1 408.97 477.87 19.15 o
2 3 1 7.47 9.10 2.91 o
4 3 1 0.03 8.65 5.41 o
5 3 1 6418.37 6431.80 56.91 o
6 3 1 30.80 41.84 15.15 o
7 3 1 10865.28 11034.77 85.39 o
8 3 1 65.40 79.75 14.91 o
9 3 1 2249.89 2270.83 43.74 o
-10 4 1 185.16 173.38 29.43 o
-9 4 1 836.94 806.84 26.69 o
-8 4 1 422.14 441.70 18.07 o
-7 4 1 1575.47 1468.81 17.60 o
-6 4 1 1051.42 1033.89 32.37 o
-5 4 1 1824.39 1829.69 23.33 o
-4 4 1 280.19 266.67 12.75 o
-3 4 1 256.28 280.60 7.35 o
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-1 4 1 195.43 222.83 13.26 o
0 4 1 34.50 27.88 8.95 o
1 4 1 1703.20 1504.95 26.86 o
2 4 1 26.09 17.15 8.20 o
3 4 1 35.42 41.61 9.99 o
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5 4 1 1236.19 1227.57 26.50 o
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